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BDBM224436 US10080750, Compound 113::US9321760, 113::US9662330, Compound 113

SMILES: Nc1ncnc(N2CCN(CC2)C(CCCN2CCC2)c2ccc(Cl)cc2)c1-c1ccc(F)cc1

InChI Key: InChIKey=HIQODPYGJGGRPJ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224436   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224436
PNG
(US10080750, Compound 113 | US9321760, 113 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CCCN2CCC2)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H32ClFN6/c28-22-8-4-20(5-9-22)24(3-1-12-33-13-2-14-33)34-15-17-35(18-16-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224436
PNG
(US10080750, Compound 113 | US9321760, 113 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CCCN2CCC2)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H32ClFN6/c28-22-8-4-20(5-9-22)24(3-1-12-33-13-2-14-33)34-15-17-35(18-16-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM224436
PNG
(US10080750, Compound 113 | US9321760, 113 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CCCN2CCC2)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H32ClFN6/c28-22-8-4-20(5-9-22)24(3-1-12-33-13-2-14-33)34-15-17-35(18-16-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10080750 (2018)

More data for this
Ligand-Target Pair